SCHEMBL9564049

SCHEMBL9564049

COc1cccc(CC(=S)NNC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.55
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
GLS O94925 2/20 0.49
GAA P10253 1/20 0.49
ADORA2A P29274 1/20 0.48
MAPK8 P45983 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9526950 0.89 CTBP2 (0.55) CTBP2USP2CYP1A2MEN1KMT2A
SCHEMBL21980986 0.85 USP2 (0.59) CTBP2USP2MEN1KMT2ARAB9A
SCHEMBL9527224 0.82 HTT (0.60) CTBP2USP2MEN1KMT2ARAB9A
SCHEMBL229067 0.78 PTGS1 (0.67) CTBP2USP2CYP1A2MEN1KMT2A
SCHEMBL29824310 0.78 PTGS1 (0.67) CTBP2USP2CYP1A2MEN1KMT2A
SCHEMBL9270423 0.78 CTBP2 (0.58) CTBP2USP2CYP1A2MEN1KMT2A
SCHEMBL9532375 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1GAAHDAC6
SCHEMBL4106620 0.78 MEN1 (0.62) CYP1A2MEN1KMT2ARAB9APOLB
SCHEMBL9527563 0.77 CYP1A2 (0.63) CTBP2USP2CYP1A2MEN1KMT2A
SCHEMBL378705 0.77 SMN1; SMN2 (0.61) CTBP2USP2CYP1A2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US claimed
EP-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed